[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol

C14H16BrFN2O2 — CID 107698635

IUPAC[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
SMILESCCn1nc(C)c(Br)c1COc1ccc(F)cc1CO
InChIInChI=1S/C14H16BrFN2O2/c1-3-18-12(14(15)9(2)17-18)8-20-13-5-4-11(16)6-10(13)7-19/h4-6,19H,3,7-8H2,1-2H3
InChIKeyLEOMCUFDXPSTQT-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.18
Rot. Bonds5

About [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol

[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol (PubChem CID 107698635) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
PubChem CID107698635
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
SMILESCCn1nc(C)c(Br)c1COc1ccc(F)cc1CO
InChIInChI=1S/C14H16BrFN2O2/c1-3-18-12(14(15)9(2)17-18)8-20-13-5-4-11(16)6-10(13)7-19/h4-6,19H,3,7-8H2,1-2H3
InChIKeyLEOMCUFDXPSTQT-UHFFFAOYSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,5-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9922209
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3133155
2-[3,5-Diethyl-4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 9814217
2-[3,5-Diethyl-4-(3-fluorophenoxy)pyrazol-1-yl]ethanol
CID 9965461
2-[4-(2,3-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 45486871
2-[3,5-Diethyl-4-(4-fluoro-3-methyl-phenoxy)pyrazol-1-yl]ethanol
CID 9857241
5-[3,5-Diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-2-fluoro-benzonitrile
CID 9944271
4-[3,5-Diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-2-fluoro-benzonitrile
CID 45486860
4-(4-Ethoxyphenoxy)-1-[[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]butan-2-ol
CID 141761154
2-[3,5-Diethyl-4-(4-fluorophenoxy)pyrazol-1-yl]ethanol
CID 45486870
2-[4-(2,4-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 45486872
2-[4-(3,4-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 45486897

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol?
The IUPAC name of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol (CID 107698635) is [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol is CCn1nc(C)c(Br)c1COc1ccc(F)cc1CO.
What is the InChIKey of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol?
The InChIKey is LEOMCUFDXPSTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-3-18-12(14(15)9(2)17-18)8-20-13-5-4-11(16)6-10(13)7-19/h4-6,19H,3,7-8H2,1-2H3.
What are the key properties of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol?
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol has a molecular weight of 343.20 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol is sourced from PubChem (CID 107698635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).